ISSN print edition: 0366-6352
ISSN electronic edition: 1336-9075
Registr. No.: MK SR 9/7

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Perturbation study of hydrogen-bonded systems

A. A Hasanein and I. Hubač

Department of Chemistry, Faculty of Science, Alexandria University, Alexandria, Egypt

 

Abstract:  A diagrammatic many-body Rayleigh—Schrödinger perturbation theory combined with the CNDO/2 Hamiltonian is applied to the study of intermolecular hydrogen bonds in the MeOH...02NMe, MeOH...NMe3, MeOH...OMe2, and HCOOH...HCOOH systems. The results are discussed in relation to other theoretical approaches and experimentally obtained values.

Full paper in Portable Document Format: 351a15.pdf

 

Chemical Papers 35 (1) 15–20 (1981)

Thursday, March 28, 2024

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